Crystallography Open Database

Information card for entry 4104976

Preview

Coordinates	4104976.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	caesium copper(I) silver(I) cyanide, CsAgCu(CN)3
Formula	C9 Ag3 Cs3 Cu3 N9
Calculated formula	C9 Ag3 Cs3 Cu3 N9
Title of publication	Helices, Chirality and Interpenetration: the Versatility and Remarkable Interconversion of Silver-Copper Cyanide Frameworks
Authors of publication	Ann M. Chippindale; Simon J. Hibble
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	12736 - 12744
a	7.2298 ± 0.0003 Å
b	7.2298 ± 0.0003 Å
c	24.6254 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	1114.72 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for all reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0248
Weighted residual factors for all reflections included in the refinement	0.0248
Goodness-of-fit parameter for all reflections included in the refinement	1.0165
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4104976.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104976.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104976.cif
30153	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4104976 via cif-deposit CGI script.	4104976.cif